Geometry & MOs

Info

ID:	256525
PubChem CID:	103139712
Reduced:	ON2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	270.173213
ΔH_f, kcal/mol:	-15.81
Dipole, Da:	3.79
IP(EA), eV:	-8.01(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-ethylcyclohexyl)oxyisoquinolin-5-amine

Drug info:

PubChemData

Smile

CC1CCC(CC1)OC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations